(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C19H21N3O2 — CID 70722342

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1nc2c(cc1C(=O)N1CCCC1c1ccccn1)CCC2
InChIInChI=1S/C19H21N3O2/c1-24-18-14(12-13-6-4-8-15(13)21-18)19(23)22-11-5-9-17(22)16-7-2-3-10-20-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3
InChIKeyTWMGXEYBZDVPCJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds3

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 70722342) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID70722342
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1nc2c(cc1C(=O)N1CCCC1c1ccccn1)CCC2
InChIInChI=1S/C19H21N3O2/c1-24-18-14(12-13-6-4-8-15(13)21-18)19(23)22-11-5-9-17(22)16-7-2-3-10-20-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3
InChIKeyTWMGXEYBZDVPCJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 70722342) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is COc1nc2c(cc1C(=O)N1CCCC1c1ccccn1)CCC2.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is TWMGXEYBZDVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-18-14(12-13-6-4-8-15(13)21-18)19(23)22-11-5-9-17(22)16-7-2-3-10-20-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 70722342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).